# generated using pymatgen
data_Sc2B4Mo2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04980508
_cell_length_b   8.64420043
_cell_length_c   9.97658859
_cell_angle_alpha   90.00004955
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2B4Mo2Ru3
_chemical_formula_sum   'Sc4 B8 Mo4 Ru6'
_cell_volume   263.01406573
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.50000000  0.83816786  0.18080910  1.0
  Sc  Sc1  1  0.50000000  0.16183214  0.81919090  1.0
  Sc  Sc2  1  0.50000000  0.66186109  0.68076614  1.0
  Sc  Sc3  1  0.50000000  0.33813891  0.31923386  1.0
  B  B4  1  0.50000000  0.96632976  0.58616981  1.0
  B  B5  1  0.50000000  0.03367024  0.41383019  1.0
  B  B6  1  0.50000000  0.85338259  0.89891304  1.0
  B  B7  1  0.50000000  0.14661741  0.10108696  1.0
  B  B8  1  0.50000000  0.64662234  0.39892627  1.0
  B  B9  1  0.50000000  0.35337766  0.60107373  1.0
  B  B10  1  0.50000000  0.46629900  0.91385261  1.0
  B  B11  1  0.50000000  0.53370100  0.08614739  1.0
  Mo  Mo12  1  0.00000000  0.66284799  0.95186868  1.0
  Mo  Mo13  1  0.00000000  0.33715201  0.04813132  1.0
  Mo  Mo14  1  0.00000000  0.83716877  0.45189005  1.0
  Mo  Mo15  1  0.00000000  0.16283123  0.54810995  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40890631  0.76107969  1.0
  Ru  Ru18  1  0.00000000  0.59109369  0.23892031  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90891122  0.73887142  1.0
  Ru  Ru21  1  0.00000000  0.09108878  0.26112858  1.0